3,4,5-trimethoxy-N-(3-methoxy-4-propan-2-yloxyphenyl)benzamide

C20H25NO6 — CID 26435232

IUPAC3,4,5-trimethoxy-N-(3-methoxy-4-propan-2-yloxyphenyl)benzamide
SMILESCOc1cc(NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(C)C
InChIInChI=1S/C20H25NO6/c1-12(2)27-15-8-7-14(11-16(15)23-3)21-20(22)13-9-17(24-4)19(26-6)18(10-13)25-5/h7-12H,1-6H3,(H,21,22)
InChIKeyXNEFVJOEKNAWNI-UHFFFAOYSA-N
MW375.42 g/mol
LogP3.76
Rot. Bonds8

About 3,4,5-trimethoxy-N-(3-methoxy-4-propan-2-yloxyphenyl)benzamide

3,4,5-trimethoxy-N-(3-methoxy-4-propan-2-yloxyphenyl)benzamide (PubChem CID 26435232) has the molecular formula C20H25NO6 and a molecular weight of 375.42 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(3-methoxy-4-propan-2-yloxyphenyl)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(3-methoxy-4-propan-2-yloxyphenyl)benzamide
PubChem CID26435232
Molecular FormulaC20H25NO6
Molecular Weight375.42 g/mol
Exact Mass375.17
IUPAC Name3,4,5-trimethoxy-N-(3-methoxy-4-propan-2-yloxyphenyl)benzamide
SMILESCOc1cc(NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(C)C
InChIInChI=1S/C20H25NO6/c1-12(2)27-15-8-7-14(11-16(15)23-3)21-20(22)13-9-17(24-4)19(26-6)18(10-13)25-5/h7-12H,1-6H3,(H,21,22)
InChIKeyXNEFVJOEKNAWNI-UHFFFAOYSA-N
XLogP3.76
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4,5-trimethoxy-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154687
3-methoxy-N-(4-methylphenyl)-4-propan-2-yloxybenzamide
CID 6457881
N-(3,4-dichlorophenyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 2223889
N-(3,4-difluorophenyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 51159004
3,4,5-trimethoxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 673819
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
N-[4-(1-hydroxyethyl)phenyl]-3,4,5-trimethoxybenzamide
CID 91676904
3,4,5-trimethoxy-N-[4-(2-methylpropylamino)phenyl]benzamide
CID 112980351
3,4,5-trimethoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 17193980
N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-propan-2-yloxybenzamide
CID 2980923
3,4,5-trimethoxy-N-(4-methoxy-3-nitrophenyl)benzamide
CID 17101962

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(3-methoxy-4-propan-2-yloxyphenyl)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(3-methoxy-4-propan-2-yloxyphenyl)benzamide (CID 26435232) is 3,4,5-trimethoxy-N-(3-methoxy-4-propan-2-yloxyphenyl)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(3-methoxy-4-propan-2-yloxyphenyl)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(3-methoxy-4-propan-2-yloxyphenyl)benzamide is COc1cc(NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(C)C.
What is the InChIKey of 3,4,5-trimethoxy-N-(3-methoxy-4-propan-2-yloxyphenyl)benzamide?
The InChIKey is XNEFVJOEKNAWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO6/c1-12(2)27-15-8-7-14(11-16(15)23-3)21-20(22)13-9-17(24-4)19(26-6)18(10-13)25-5/h7-12H,1-6H3,(H,21,22).
What are the key properties of 3,4,5-trimethoxy-N-(3-methoxy-4-propan-2-yloxyphenyl)benzamide?
3,4,5-trimethoxy-N-(3-methoxy-4-propan-2-yloxyphenyl)benzamide has a molecular weight of 375.42 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(3-methoxy-4-propan-2-yloxyphenyl)benzamide is sourced from PubChem (CID 26435232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).